input word = C00046875

Metabolite InformationStructural formula
Name Reiniose A
(-)-Reiniose A
Formula C34H42O18
Mw 738.23711454
CAS RN 162478-51-5
C_ID C00046875 ,
InChIKey RMMOWCORPSHKBI-JHUYOQIKNA-N
InChICode InChI=1S/C34H42O18/c1-44-20-11-17(5-8-19(20)37)6-9-25(38)48-15-24-27(40)29(42)30(43)33(49-24)52-34(16-36)32(28(41)23(14-35)51-34)50-26(39)10-7-18-12-21(45-2)31(47-4)22(13-18)46-3/h5-13,23-24,27-30,32-33,35-37,40-43H,14-16H2,1-4H3/b9-6+,10-7+/t23-,24-,27-,28-,29+,30-,32+,33-,34+/m1/s1
SMILES [C@H]1([C@H]([C@@H]([C@@](O1)(O[C@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)COC(=O)/C=C/c1cc(c(cc1)O)OC)CO)OC(=O)/C=C/c1cc(c(c(c1)OC)OC)OC)O)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePolygalaceaePolygala reinii Ref.
PlantaePolygalaceaePolygala wattersii Ref.
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